UCSF

ZINC61396648

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.18 0.21 -20.55 2 6 0 88 221.216 2
Mid Mid (pH 6-8) 0.28 -1.94 -51.3 1 6 -1 91 220.208 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )